Compound Information | SONAR Target prediction | Name: | IRIGENIN, 7-BENZYL ETHER | Unique Identifier: | SPE00200763 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C25H22O8 | Molecular Weight: | 428.263 g/mol | X log p: | 20.51 (online calculus) | Lipinksi Failures | 1 | TPSA | 63.22 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 7 | Canonical Smiles: | COc1cc(cc(O)c1OC)C1=COc2cc(OCc3ccccc3)c(OC)c(O)c2C1=O | Source: | derivative of irigenin from Iris spp. |
Species: |
4932 |
Condition: |
NPR1 |
Replicates: |
2 |
Raw OD Value: r im |
0.9781±0.00120208 |
Normalized OD Score: sc h |
0.9724±0.00606343 |
Z-Score: |
0.4997±0.411103 |
p-Value: |
0.631894 |
Z-Factor: |
-3.9048 |
Fitness Defect: |
0.459 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 15|F11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | 0.0006249999999999999±0.00288 | Plate DMSO Control (-): | 1.002475±0.03518 | Plate Z-Factor: | 0.8821 |
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DBLink | Rows returned: 1 | |
6063287 |
5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-phenylmethoxy-chromen-4-one |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 9315 | Additional Members: 4 | Rows returned: 1 | |
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